4-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-chloro-1-methyl-2-imidazolyl)methylthio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H15ClN4O2S MolecularWeight: 326.8018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=NC=C(N2C)Cl)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=NC=C(N2C)Cl)C(=O)O)C

InChI

InChI=1S/C13H15ClN4O2S/c1-4-9-16-7(2)11(13(19)20)12(17-9)21-6-10-15-5-8(14)18(10)3/h5H,4,6H2,1-3H3,(H,19,20)